Chemical ID: 4044765

CCc1cccc(n1)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC
Chemical ID:
4044765
Name [?]:
4-(1,1-dimethylpropyl)-N-(6-ethyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCc1cccc(n1)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC
InChi [?]:
InChI=1/C18H24N2O2S/c1-5-15-8-7-9-17(19-15)20-23(21,22)16-12-10-14(11-13-16)18(3,4)6-2/h7-13H,5-6H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,20,21,2,22,5,4,6,15,17,14,18,16,3,13,7,19,8,9,11,12,10/E:(3,4)(10,11)(12,13)(21,22)/CRV:23.6/rA:23nCCCCCCCNNSOOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.389
Area:516.847
Solvation:-2.53214
Coulombic:-18.8389
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.461
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.14
LogP (Chemaxon):4.03

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Descriptor Annotations

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